4-fluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide

C18H21FN4O3S — CID 7205262

IUPAC4-fluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCC1CCN(C(=O)CSc2nnc(CNC(=O)c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C18H21FN4O3S/c1-12-6-8-23(9-7-12)16(24)11-27-18-22-21-15(26-18)10-20-17(25)13-2-4-14(19)5-3-13/h2-5,12H,6-11H2,1H3,(H,20,25)
InChIKeyNYUCMFKTZQMFJZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.49
Rot. Bonds6

About 4-fluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide

4-fluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 7205262) has the molecular formula C18H21FN4O3S and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-fluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID7205262
Molecular FormulaC18H21FN4O3S
Molecular Weight392.46 g/mol
Exact Mass392.13
IUPAC Name4-fluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESCC1CCN(C(=O)CSc2nnc(CNC(=O)c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C18H21FN4O3S/c1-12-6-8-23(9-7-12)16(24)11-27-18-22-21-15(26-18)10-20-17(25)13-2-4-14(19)5-3-13/h2-5,12H,6-11H2,1H3,(H,20,25)
InChIKeyNYUCMFKTZQMFJZ-UHFFFAOYSA-N
XLogP2.49
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of 4-fluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 7205262) is 4-fluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-fluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide is CC1CCN(C(=O)CSc2nnc(CNC(=O)c3ccc(F)cc3)o2)CC1.
What is the InChIKey of 4-fluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is NYUCMFKTZQMFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3S/c1-12-6-8-23(9-7-12)16(24)11-27-18-22-21-15(26-18)10-20-17(25)13-2-4-14(19)5-3-13/h2-5,12H,6-11H2,1H3,(H,20,25).
What are the key properties of 4-fluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide?
4-fluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 392.46 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide is sourced from PubChem (CID 7205262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).